CID 73721210

3-(2,2-dimethylcyclopropyl)propan-1-ol

Structural Information

Molecular Formula
C8H16O
SMILES
CC1(CC1CCCO)C
InChI
InChI=1S/C8H16O/c1-8(2)6-7(8)4-3-5-9/h7,9H,3-6H2,1-2H3
InChIKey
ZTZQBYAROXVBCX-UHFFFAOYSA-N
Compound name
3-(2,2-dimethylcyclopropyl)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

128.12012 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.127396 127.8
[M+Na]+ 151.109338 137.3
[M-H]- 127.112844 131.6
[M+NH4]+ 146.153943 146.8
[M+K]+ 167.083278 135.9
[M+H-H2O]+ 111.117380 123.8
[M+HCOO]- 173.118321 149.7
[M+CH3COO]- 187.133971 175.4
[M+Na-2H]- 149.094786 134.5
[M]+ 128.11957142 131.4
[M]- 128.12066858 131.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe